The NanoDefiner: decision flow scheme, e-tool and manual Hubert Rauscher & Agnieszka Mech (JRC) NanoDefine Outreach Event Brussels, September 2017 NanoDefine is funded by the European Community's Seventh Framework Programme under Grant Agreement-604347
Outline Nano or non-nano: a guided decision flow • Knowledge base: Performance of particle size measurement • methods Matching methods and materials: Material classification system • The machinery: NanoDefine decision support flow scheme • NanoDefiner e-tool • How the e-tool can help regulators and clients • The NanoDefine Manual • 2
The EC NM Definition The European Commission definition of Nanomaterial COMMISSION RECOMMENDATION of 18 October 2011 (2011/696/EU) "Nanomaterial" means a natural, incidental or manufactured material containing particles, in an unbound state or as an aggregate or as an agglomerate and where, for 50 % or more of the particles in the number size distribution , one or more external dimensions is in the size range 1 nm - 100 nm ”
Decision flow scheme - concept Start Some materials are "nano" Basic sorting or "non-nano" by definition • Economic decision on nano/non-nano Tier 1 (screening) Dispersions / • Exit decision scheme as early as possible Powder • Flexibility for the user: • Choice of methods Decision: Borderline? no • Tier1 / tier 2 Nano / non-nano (If D 50 100 nm-250 nm) • Built-in priority: Avoid false negative NMs yes (i.e. classification as non-NM when it actually is a NM) Tier 2 (confirmatory) Decision: Nano / non-nano 4
Pillars of the decision process Knowledge Base • Evaluated sizing techniques • Techniques performance database • material characteristics and templates
Methods and their performance (selection) Methods recommended by NanoDefine method evaluation (Babick et al. 2016) Methods not evaluated by NanoDefine TEM SEM BET DEMA AC - AC-RI DLS sp ICP-MS AFM spray turb MAIN (selected) CRITERIA FOR MONOTYPE PARTICLES COMPOSIT CHEMICA Inorganic X X X X X X X X X Carbon based X X X X X X X X ION L Organic particulate X X X X X X X X Biological X X X X X X X COMPO Core shell X X X X X X 1 X X X -SITE X 1 X 1 Multiple coating X X X X X X X Occluded X X X X X 1 X 1 X X X DIMENSION X 2 1 X X X SMALL 2 X X X X S 3 X X X X X X X X X Mixture X X X Spherical or equiaxial X X X X X X X X X SHAPE Elongated X X X X X 2 X 2 Flat X X mixture X , X 3,4 X Can be 1 nm – 1 3 nm – 5 Size range (nm) 1 nm-1000 10 nm - 1 nm -10 µm 2 nm - 1 µm 5 nm- 100 20 nm -1 µm 1 nm -10 material µm µm µm 1000 µm µm µm dependent Powder X 3 X* X X 2 TRADE FORM Suspension X 3 X 3 X 2 X X X X X Aerosol X Electron beam sensitive X X X X X X X Sensitivity to vacuum X X X X X X Analysis temperature (C) 15-40 15-40 15-40 10-40 5-60 5-60 5-60 15-40 15-40 Conductive materials X X X X X X X X X 6
Pillars of the decision process Knowledge Base • Evaluated sizing techniques • Techniques performance Material classification system database Knowledge Base • material characteristics and templates • method-driven • Evaluated sizing techniques • uses properties which determine the • Techniques performance database suitability of a sizing technique • material characteristics and templates • To match materials with appropriate size measurement techniques
Material classification system The material is classified according to several parameters that are most • important for size measurement methods Main properties: • Monotype particles Number of small Stability of Chemical Trade Form and Specific dimensions and Size range particles during composition Dispersibility properties shape testing 8
Material classification system Inorganic Carbon-based Organic, particulate Chemical composition Biological Other type of particles Core/shell Composite Multiple coatings Unknown Occluded particles 9
Complete material classification system for monotype particles Monotype particles Chemical Number of small Trade Form and Stability of particles Specific Size range composition dimensions and shape Dispersibility during testing properties Carbon- Organic, Other type of Number of small Electrically Inorganic Biological Composite Unknown Shape Trade Form Dispersibility E-beam Specify based particulate particles dimensions conductive Dispersible in Vacuum Magnetic Core/shell 1 Sphere Powder aqueous stability properties media Size- Multiple Release of 2 Equiaxial Suspension Dispersible in dependent coatings ions/ atoms/ material- absorption of molecules specific photons / Occluded media and fluorescence 3 Elongated Aerosol protocols particles Heating Dispersible in Functionalised Mixture of Flat polar media different Cooling nanoscaled materials Dispersible in Other/ a non polar Unknown media Mixture of Can be different aerosolized shaped particles More information: Poster 10
Pillars of the decision process Knowledge Base Material classification system • Evaluated sizing • method-driven techniques • uses properties which • Techniques performance determine the suitability Material classification system database of a sizing technique Decision flow scheme • material characteristics • To match materials with and templates appropriate size • method-driven measurement techniques • Logical flow scheme • uses properties which determine the • 2-tiered approach suitability of a sizing technique • screening and confirmatory methods • To match materials with appropriate • 'nano' or 'non-nano' classification size measurement techniques
NanoDefine - Decision flow scheme - To be published -
Pillars of the decision process Knowledge Base Material classification Decision flow scheme Data input system • Evaluated sizing • Logical flow scheme • method-driven • Measurements techniques • 2-tiered approach • uses properties which • Nanosizer • Techniques performance • screening and determine the suitability • sp ICP-MS database Data input confirmatory methods of a sizing technique Decision flow scheme • material characteristics • 'nano' or 'non-nano' • To match materials with and templates classification appropriate size measurement techniques • Measurements/results • Logical flow scheme • pre-evaluated EM (Nanosizer) • 2-tiered approach The NanoDefiner eTool • pre-evaluated sp ICP-MS • screening and confirmatory methods • 'nano' or 'non-nano' classification Reporting Nanomaterial No nanomaterial • Dossier 13
E-tool flow scheme Material description Screening Dossier definition Data Classification Start method Administrative data import as nano (tier 1) Purpose [nano] [Screening technique (tier 1)] [non-nano] Measurement Classification Report technique as non-nano generation Recommendation [non-borderline] and selection [Confirmatory technique [borderline] (tier 2)] eTool workflow Confirmatory • Dossier creation Data End method • Particulate material description import (tier 2) • Technique selection • Result evaluation • Report generation See presentation tomorrow by Christoph Friedrich 14
Summary: How the e-tool can help to identify nanomaterials • Supports users who need to identify nanomaterials, e.g., for registration purposes • Addressed to users with knowledge on particle size measurements • Guided workflow (applied decision flow scheme) • Matches material properties with method performance • Transparent method recommendation • Supports economic decisions Outside of the e-tool's scope: • Comprehensive and transparent reporting • Provide details on preparation • Online manual and help (in final version) • Give detailed instructions on methods • Configurable by expert user administrator • Consider methods in development • Give legally valid advice • Provide legally valid classification • Substitute expert assessment 15
NanoDefine Methods Manual Objectives To provide guidance to the industry, • regulators and stakeholders through the nanomaterial characterization process To assists the user in choosing the • most appropriate measurement method(s) to identify/classify as nano or non-nanomaterial any substance or mixture for a specific purpose, according to the EC recommendation for a definition of nanomaterial. To provide the manual for the users of • NanoDefiner e-tool 16
Content Methods description Methods Manual Methods evaluation Material classification scheme Decision Flow Scheme Sample preparation SOPs Metrics Conversion Information on standards 17
Content: Measurement methods Methods description Methods Manual Methods evaluation Material classification scheme Decision Flow Scheme Sample preparation SOPs Metrics Conversion Information on standards Evaluation of the performance, characterization, application range and the limits of methods 18
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